Item 1: Call for Discussion Topics

Please suggest topics for discussion via e-mail < jix@ncifcrf.gov >.

Item 2: Topics Discussed

MISSING ATOMS: In principle, including them with zero occupancy makes sense, because such atoms do not contribute to the refinement, are clearly marked as modeled rather than observed, and do not cause problems such as changes in the sequence when a lysine, for example, is replaced by an alanine. (Full discussion on MISSING ATOMS can be found here)

NCS: NCS is part of single crystal X-ray diffraction data and a useful addition to the crystallographic symmetry. All experimental data should be used for derivation of experimental results. NCS contains "error" that should be treated properly with the use of a weighting scheme. CNS and SHELXL use different approaches in structure refinement with NCS restraints. (Full discussion on NCS can be found here)

Item 3: July 2002 Publications by Members of the Group:

1: Brzozowski AM, Dodson EJ, Dodson GG, Murshudov GN, Verma C, Turkenburg JP, De Bree FM, Dauter Z. 
Structural origins of the functional divergence of human insulin-like growth
factor-I and insulin.
Biochemistry. 2002 Jul 30;41(30):9389-97.

2: Gustchina A, Li M, Phylip LH, Lees WE, Kay J, Wlodawer A. 
An unusual orientation for Tyr75 in the active site of the aspartic proteinase
from Saccharomyces cerevisiae.
Biochem Biophys Res Commun. 2002 Jul 26;295(4):1020-6.

3: Boeggeman E, Qasba PK. 
Studies on the metal binding sites in the catalytic domain of
beta1,4-galactosyltransferase.
Glycobiology. 2002 Jul;12(7):395-407.

4: Martin TW, Dauter Z, Devedjiev Y, Sheffield P, Jelen F, He M, Sherman DH,
Otlewski J, Derewenda ZS, Derewenda U. 
Molecular Basis of Mitomycin C Resistance in Streptomyces. Structure and
Function of the MRD Protein.
Structure (Camb). 2002 Jul;10(7):933-42.

5: Boesen CC, Radaev S, Motyka SA, Patamawenu A, Sun PD. 
The 1.1 A Crystal Structure of Human TGF-beta Type II Receptor Ligand Binding
Domain.
Structure (Camb). 2002 Jul;10(7):913-9.

6: Botos I, O'Keefe BR, Shenoy SR, Cartner LK, Ratner DM, Seeberger PH, Boyd
MR, Wlodawer A. 
Structures of the complexes of a potent anti-HIV protein cyanovirin-N and
high-mannose oligosaccharides.
J Biol Chem. 2002 Jul 10 [epub ahead of print]

7: Shi D, Gallegos R, DePonte J 3rd, Morizono H, Yu X, Allewell NM, Malamy M,
Tuchman M. 
Crystal Structure of a Transcarbamylase-like Protein from the Anaerobic
Bacterium Bacteroides fragilis at 2.0 A Resolution.
J Mol Biol. 2002 Jul 19;320(4):899-908.

8: Braddock DT, Baber JL, Levens D, Clore GM. 
Molecular basis of sequence-specific single-stranded DNA recognition by KH
domains: solution structure of a complex between hnRNP K KH3 and single-stranded DNA.
EMBO J. 2002 Jul 1;21(13):3476-85.

9: Li Y, Gong Y, Shi G, Blaszczyk J, Ji X, Yan H. 
Chemical Transformation Is Not Rate-Limiting in the Reaction Catalyzed by
Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase.
Biochemistry. 2002 Jul 9;41(27):8777-83.

10: Boesen CC, Motyka SA, Patamawenu A, Sun PD. 
Crystallization and preliminary crystallographic studies of human TGF-beta type
II receptor ligand-binding domain.
Acta Crystallogr D Biol Crystallogr. 2002 Jul;58(Pt 7):1214-6.

11: Sun PD, Radaev S. 
Generating isomorphous heavy-atom derivatives by a quick-soak method. Part II:
phasing of new structures.
Acta Crystallogr D Biol Crystallogr. 2002 Jul;58(Pt 7):1099-103.

12: Sun PD, Radaev S, Kattah M. 
Generating isomorphous heavy-atom derivatives by a quick-soak method. Part I:
test cases.
Acta Crystallogr D Biol Crystallogr. 2002 Jul;58(Pt 7):1092-8.

13: Oganesyan V, Oganesyan N, Terzyan S, Qu D, Dauter Z, Esmon NL, Esmon CT. 
The crystal structure of the endothelial protein C receptor and a bound
phospholipid.
J Biol Chem. 2002 Jul 12;277(28):24851-4.

14: Kato Y, Misra S, Puertollano R, Hurley JH, Bonifacino JS. 
Phosphoregulation of sorting signal-VHS domain interactions by a direct
electrostatic mechanism.
Nat Struct Biol. 2002 Jul;9(7):532-6.